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Geometry for C2H3OC2H5 (Ethene, ethoxy-) 1A C1

1910171554
InChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3 INChIKey=FJKIXWOMBXYWOQ-UHFFFAOYSA-N

HF/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -2.4142 -0.2974 0.0691   2.4136 -0.3005 0.0734
H2 -2.4421 -1.3620 0.2140   2.4397 -1.3619 0.2400
H3 -3.3398 0.2451 0.0387   3.3403 0.2396 0.0312
C4 -1.2745 0.3410 -0.0869   1.2750 0.3368 -0.0949
H5 -1.2415 1.4100 -0.2320   1.2440 1.4027 -0.2618
O6 -0.0830 -0.2812 -0.1050   0.0824 -0.2835 -0.0993
C7 1.0491 0.5233 0.1166   -1.0481 0.5275 0.1067
H8 0.9981 0.9640 1.1100   -0.9955 0.9884 1.0907
H9 1.0708 1.3338 -0.6098   -1.0688 1.3230 -0.6361
C10 2.2815 -0.3438 -0.0191   -2.2821 -0.3399 -0.0104
H11 2.2598 -1.1489 0.7070   -2.2614 -1.1299 0.7321
H12 2.3303 -0.7789 -1.0113   -2.3326 -0.7951 -0.9934
H13 3.1766 0.2485 0.1456   -3.1760 0.2574 0.1428
Atom - Atom Distances (Å)
  C1 H2 H3 C4 H5 O6 C7 H8 H9 C10 H11 H12 H13
C1 1.0747 1.0734 1.3156 2.0931 2.3377 3.5595 3.7839 3.9072 4.6967 4.7935 4.8897 5.6179
H2 1.0747 1.8491 2.0866 3.0535 2.6144 3.9689 4.2483 4.5039 4.8376 4.7325 4.9615 5.8453
H3 1.0734 1.8491 2.0714 2.4152 3.3022 4.3984 4.5257 4.5890 5.6523 5.8091 5.8568 6.5173
C4 1.3156 2.0866 2.0714 1.0793 1.3443 2.3396 2.6430 2.5998 3.6219 3.9168 3.8863 4.4581
H5 2.0931 3.0535 2.4152 1.0793 2.0539 2.4809 2.6488 2.3442 3.9412 4.4373 4.2611 4.5838
O6 2.3377 2.6144 3.3022 1.3443 2.0539 1.4064 2.0483 2.0479 2.3668 2.6270 2.6255 3.3118
C7 3.5595 3.9689 4.3984 2.3396 2.4809 1.4064 1.0879 1.0886 1.5129 2.1472 2.1469 2.1453
H8 3.7839 4.2483 4.5257 2.6430 2.6488 2.0483 1.0879 1.7605 2.1523 2.4937 3.0516 2.4875
H9 3.9072 4.5039 4.5890 2.5998 2.3442 2.0479 1.0886 1.7605 2.1515 3.0514 2.4922 2.4865
C10 4.6967 4.8376 5.6523 3.6219 3.9412 2.3668 1.5129 2.1523 2.1515 1.0844 1.0845 1.0859
H11 4.7935 4.7325 5.8091 3.9168 4.4373 2.6270 2.1472 2.4937 3.0514 1.0844 1.7592 1.7630
H12 4.8897 4.9615 5.8568 3.8863 4.2611 2.6255 2.1469 3.0516 2.4922 1.0845 1.7592 1.7636
H13 5.6179 5.8453 6.5173 4.4581 4.5838 3.3118 2.1453 2.4875 2.4865 1.0859 1.7630 1.7636
Maximum atom distance is 6.5173Å between atoms H3 and H13.
picture of Ethene, ethoxy-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 O6 123.011 C4 O6 C7 116.525
O6 C7 C10 108.284
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H5 121.535 H2 C1 H3 118.819
H2 C1 C4 121.276 H3 C1 C4 119.899
H5 C4 O6 115.441 O6 C7 H8 109.750
O6 C7 H9 109.677 C7 C10 H11 110.435
C7 C10 H12 110.409 C7 C10 H13 110.196
H8 C7 H9 107.971 H8 C7 C10 110.629
H9 C7 C10 110.526 H11 C10 H12 108.405
H11 C10 H13 108.651 H12 C10 H13 108.689

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.